UCSF

ZINC09631532

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 29 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.05 10.45 -14.92 2 6 0 102 445.331 5
Mid Mid (pH 6-8) 4.13 10.06 -48.99 2 6 1 101 446.339 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )